|
Epistilbite |
 |
Cruciani G, Martucci A, Meneghini C |
| |
European Journal of Mineralogy 15 (2003) 257-266 |
|
Dehydration dynamics of epistilbite by in situ time resolved synchrotron |
|
powder diffraction |
|
T = 323 K |
|
_database_code_amcsd 0006967 |
|
9.1001 17.7564 10.2380 90 124.624 90 C2/m |
|
atom x y z occ Uiso |
|
Ca1 .7516 0 .2478 .47 .070 |
|
Ca2 .7464 0 .5106 .25 .093 |
|
AlT1 .0044 .0886 .1664 .242 .031 |
|
SiT1 .0044 .0886 .1664 .758 .031 |
|
AlT2 .2990 .2085 .3879 .242 .031 |
|
SiT2 .2990 .2085 .3879 .758 .031 |
|
AlT3 .7192 .1970 .1069 .242 .031 |
|
SiT3 .7192 .1970 .1069 .758 .031 |
|
O1 .0253 0 .2183 .070 |
|
O2 0 .0950 0 .070 |
|
O3 .8076 .1146 .1276 .070 |
|
O4 .1696 .1345 .3174 .070 |
|
O5 .5 .1810 0 .070 |
|
O6 .5 .1666 .5 .070 |
|
O7 .75 .25 0 .070 |
|
O8 .7660 .2198 .2817 .070 |
|
O9 .25 .25 .5 .070 |
|
Wat1 .5 0 .5 .128 |
|
Wat2 0 .0805 .5 .95 .083 |
|
Wat3 .5702 .0889 .2895 .97 .182 |
|
Wat4 .5 0 0 .117 |
|
|
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View JMOL 3-D Structure
|
| |
|
Epistilbite |
|
Cruciani G, Martucci A, Meneghini C |
| |
European Journal of Mineralogy 15 (2003) 257-266 |
|
Dehydration dynamics of epistilbite by in situ time resolved synchrotron |
|
powder diffraction |
|
T = 429 K |
|
_database_code_amcsd 0006968 |
|
9.1014 17.7326 10.2378 90 124.607 90 C2/m |
|
atom x y z occ Uiso |
|
Ca1 .7409 0 .2338 .47 .067 |
|
Ca2 .7425 0 .5109 .28 .070 |
|
AlT1 .0040 .0868 .1645 .242 .033 |
|
SiT1 .0040 .0868 .1645 .758 .033 |
|
AlT2 .2982 .2079 .3869 .242 .033 |
|
SiT2 .2982 .2079 .3869 .758 .033 |
|
AlT3 .7165 .1950 .1032 .242 .033 |
|
SiT3 .7165 .1950 .1032 .758 .033 |
|
O1 .0263 0 .2180 .072 |
|
O2 0 .0919 0 .072 |
|
O3 .8089 .1126 .1279 .072 |
|
O4 .1699 .1320 .3161 .072 |
|
O5 .5 .1806 0 .072 |
|
O6 .5 .1655 .5 .072 |
|
O7 .75 .25 0 .072 |
|
O8 .7618 .2201 .2768 .072 |
|
O9 .25 .25 .5 .072 |
|
Wat1 .5 0 .5 .94 .177 |
|
Wat2 0 .0720 .5 .91 .170 |
|
Wat3 .5628 .0788 .2864 .78 .183 |
|
Wat4 .5 0 0 .106 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Epistilbite |
|
Cruciani G, Martucci A, Meneghini C |
| |
European Journal of Mineralogy 15 (2003) 257-266 |
|
Dehydration dynamics of epistilbite by in situ time resolved synchrotron |
|
powder diffraction |
|
T = 528 K |
|
_database_code_amcsd 0006969 |
|
9.0935 17.6912 10.2094 90 124.569 90 C2/m |
|
atom x y z occ Uiso |
|
Ca1 .7460 0 .2378 .41 .077 |
|
Ca2 .7250 0 .4968 .29 .155 |
|
AlT1 .0102 .0859 .1683 .242 .035 |
|
SiT1 .0102 .0859 .1683 .758 .035 |
|
AlT2 .2926 .2087 .3850 .242 .035 |
|
SiT2 .2926 .2087 .3850 .758 .035 |
|
AlT3 .7164 .1956 .1036 .242 .035 |
|
SiT3 .7164 .1956 .1036 .758 .035 |
|
O1 .0399 0 .2331 .068 |
|
O2 0 .0761 0 .068 |
|
O3 .8152 .1157 .1282 .068 |
|
O4 .1717 .1344 .3080 .068 |
|
O5 .5 .1788 0 .068 |
|
O6 .5 .1738 .5 .068 |
|
O7 .75 .25 0 .068 |
|
O8 .7654 .2184 .2793 .068 |
|
O9 .25 .25 .5 .068 |
|
Wat1 .5 0 .5 .83 .186 |
|
Wat2 0 .1016 .5 .66 .140 |
|
Wat3 .5770 .0846 .3205 .49 .188 |
|
Wat4 .5 0 0 .71 .130 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Epistilbite |
|
Cruciani G, Martucci A, Meneghini C |
| |
European Journal of Mineralogy 15 (2003) 257-266 |
|
Dehydration dynamics of epistilbite by in situ time resolved synchrotron |
|
powder diffraction |
|
T = 666 K |
|
_database_code_amcsd 0006970 |
|
8.845 16.607 9.746 90 123.19 90 C2/m |
|
atom x y z occ Uiso |
|
Ca1' .500 0 .580 .41 .110 |
|
Ca2' 0 .0452 .5 .50 .094 |
|
Ca4' .5 0 0 .12 .250 |
|
AlT1 -.0075 .0858 .1626 .242 .061 |
|
SiT1 -.0075 .0858 .1626 .758 .061 |
|
AlT2 .3051 .2047 .3879 .242 .061 |
|
SiT2 .3051 .2047 .3879 .758 .061 |
|
AlT3 .7140 .1879 .1053 .242 .061 |
|
SiT3 .7140 .1879 .1053 .758 .061 |
|
O1 .0589 0 .2595 .113 |
|
O2 0 .0779 0 .113 |
|
O3 .7859 .0967 .1094 .113 |
|
O4 .1324 .1501 .2866 .113 |
|
O5 .5 .1739 0 .113 |
|
O6 .5 .1621 .5 .113 |
|
O7 .75 .25 0 .113 |
|
O8 .8081 .2188 .2870 .113 |
|
O9 .25 .25 .5 .113 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Mordenite |
|
Martucci A, Sacerdoti M, Cruciani G, Dalconi C |
| |
European Journal of Mineralogy 15 (2003) 485-493 |
|
In situ time resolved synchrotron powder diffraction study of mordenite |
|
Sample: T = 25 C |
|
_database_code_amcsd 0006995 |
|
18.120 20.494 7.531 90 90 90 Cmcm |
|
atom x y z occ Uiso |
|
NaA 0 .5 0 .775 .033 |
|
WatA 0 .5 0 .225 .033 |
|
KB 0 .579 .25 .035 .140 |
|
WatB 0 .579 .25 .485 .140 |
|
CaC .444 .215 .25 .118 .150 |
|
MgC .444 .215 .25 .0055 .150 |
|
SrC .444 .215 .25 .0005 .150 |
|
WatD .5 .335 .25 .716 .140 |
|
WatE .627 .481 .25 .952 .110 |
|
CaF .5 .478 .25 .236 .043 |
|
MgF .5 .478 .25 .011 .043 |
|
SrF .5 .478 .25 .001 .043 |
|
WatF .5 .478 .25 .173 .043 |
|
WatG .5 .398 .487 .793 .096 |
|
WatH .111 0 0 .294 .015 |
|
WatJ 0 .060 .064 .610 .098 |
|
SiT1 .303 .072 .037 .8444 .011 |
|
AlT1 .303 .072 .037 .1542 .011 |
|
FeT1 .303 .072 .037 .0006 .011 |
|
SiT2 .305 .311 .046 .8444 .011 |
|
AlT2 .305 .311 .046 .1542 .011 |
|
FeT2 .305 .311 .046 .0006 .011 |
|
SiT3 .088 .388 .25 .8444 .011 |
|
AlT3 .088 .388 .25 .1542 .011 |
|
FeT3 .088 .388 .25 .0006 .011 |
|
SiT4 .085 .229 .25 .8444 .011 |
|
AlT4 .085 .229 .25 .1542 .011 |
|
FeT4 .085 .229 .25 .0006 .011 |
|
O1 .118 .414 .443 .024 |
|
O2 .121 .191 .422 .024 |
|
O3 .231 .117 .990 .024 |
|
O4 .095 .308 .25 .024 |
|
O5 .163 .193 .75 .024 |
|
O6 .179 .422 .75 .024 |
|
O7 .235 .5 .5 .024 |
|
O8 .25 .25 .5 .024 |
|
O9 0 .405 .25 .024 |
|
O10 0 .203 .25 .024 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Mordenite |
|
Martucci A, Sacerdoti M, Cruciani G, Dalconi C |
| |
European Journal of Mineralogy 15 (2003) 485-493 |
|
In situ time resolved synchrotron powder diffraction study of mordenite |
|
Sample: T = 200 C |
|
_database_code_amcsd 0006996 |
|
18.074 20.446 7.531 90 90 90 Cmcm |
|
atom x y z occ Uiso |
|
WatA 0 .5 0 .75 .113 |
|
WatB 0 .569 .154 .449 .136 |
|
CaC' .410 .116 .25 .023 .08 |
|
MgC' .410 .116 .25 .001 .08 |
|
SrC' .410 .116 .25 .0001 .08 |
|
WatC' .410 .116 .25 .096 .08 |
|
CaD' .5 .254 .377 .031 .14 |
|
MgD' .5 .254 .377 .0014 .14 |
|
SrD' .5 .254 .377 .0001 .14 |
|
WatD' .5 .254 .377 .133 .14 |
|
WatE .600 .502 .25 .519 .116 |
|
CaF .5 .407 .25 .3315 .130 |
|
MgF .5 .407 .25 .0031 .130 |
|
SrF .5 .407 .25 .0004 .130 |
|
WatF .5 .407 .25 .141 .130 |
|
WatG .5 .351 .419 .061 .100 |
|
WatG' .5 .351 .419 .061 .100 |
|
WatH .090 0 0 .178 .102 |
|
WatJ 0 .103 .003 .501 .101 |
|
SiT1 .306 .075 .034 .8444 .048 |
|
AlT1 .306 .075 .034 .1542 .048 |
|
FeT1 .306 .075 .034 .0006 .048 |
|
SiT2 .306 .308 .041 .8444 .048 |
|
AlT2 .306 .308 .041 .1542 .048 |
|
FeT2 .306 .308 .041 .0006 .048 |
|
SiT3 .092 .385 .25 .8444 .048 |
|
AlT3 .092 .385 .25 .1542 .048 |
|
FeT3 .092 .385 .25 .0006 .048 |
|
SiT4 .086 .226 .25 .8444 .048 |
|
AlT4 .086 .226 .25 .1542 .048 |
|
FeT4 .086 .226 .25 .0006 .048 |
|
O1 .122 .414 .443 .062 |
|
O2 .124 .187 .416 .062 |
|
O3 .237 .126 .986 .062 |
|
O4 .090 .308 .25 .062 |
|
O5 .158 .201 .75 .062 |
|
O6 .185 .423 .75 .062 |
|
O7 .234 .5 .5 .062 |
|
O8 .25 .25 .5 .062 |
|
O9 0 .400 .25 .062 |
|
O10 0 .203 .25 .062 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Mordenite |
|
Martucci A, Sacerdoti M, Cruciani G, Dalconi C |
| |
European Journal of Mineralogy 15 (2003) 485-493 |
|
In situ time resolved synchrotron powder diffraction study of mordenite |
|
Sample: T = 450 C |
|
_database_code_amcsd 0006997 |
|
18.024 20.386 7.503 90 90 90 Cmcm |
|
atom x y z occ Uiso |
|
WatA 0 .5 0 .72 .107 |
|
WatB 0 .559 .127 .260 .125 |
|
WatC' .441 .125 .25 .131 .151 |
|
WatD' .5 .251 .372 .110 .139 |
|
WatE .586 .523 .25 .146 .166 |
|
WatG .5 .313 .434 .150 .130 |
|
WatG' .5 .313 .434 .150 .130 |
|
WatJ 0 .075 -.024 .314 .182 |
|
SiT1 .299 .073 .035 .8444 .050 |
|
AlT1 .299 .073 .035 .1542 .050 |
|
FeT1 .299 .073 .035 .0006 .050 |
|
SiT2 .308 .306 .038 .8444 .050 |
|
AlT2 .308 .306 .038 .1542 .050 |
|
FeT2 .308 .306 .038 .0006 .050 |
|
SiT3 .088 .387 .25 .8444 .050 |
|
AlT3 .088 .387 .25 .1542 .050 |
|
FeT3 .088 .387 .25 .0006 .050 |
|
SiT4 .087 .227 .25 .8444 .050 |
|
AlT4 .087 .227 .25 .1542 .050 |
|
FeT4 .087 .227 .25 .0006 .050 |
|
O1 .124 .414 .436 .068 |
|
O2 .118 .191 .428 .068 |
|
O3 .236 .125 .980 .068 |
|
O4 .086 .306 .25 .068 |
|
O5 .159 .191 .75 .068 |
|
O6 .177 .417 .75 .068 |
|
O7 .233 .5 .5 .068 |
|
O8 .25 .25 .5 .068 |
|
O9 0 .409 .25 .068 |
|
O10 0 .205 .25 .068 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Mordenite |
|
Martucci A, Sacerdoti M, Cruciani G, Dalconi C |
| |
European Journal of Mineralogy 15 (2003) 485-493 |
|
In situ time resolved synchrotron powder diffraction study of mordenite |
|
Sample: T = 830 C |
|
_database_code_amcsd 0006998 |
|
18.029 20.308 7.493 90 90 90 Cmcm |
|
atom x y z occ Uiso |
|
NaA 0 .5 0 .547 .123 |
|
WatA 0 .5 0 .88 .123 |
|
WatB 0 .559 .125 .104 .090 |
|
WatC' .410 .179 .25 .107 .107 |
|
WatD' .5 .288 .350 .133 .142 |
|
SiT1 .303 .073 .038 .8444 .058 |
|
AlT1 .303 .073 .038 .1542 .058 |
|
FeT1 .303 .073 .038 .0006 .058 |
|
SiT2 .308 .309 .039 .8444 .058 |
|
AlT2 .308 .309 .039 .1542 .058 |
|
FeT2 .308 .309 .039 .0006 .058 |
|
SiT3 .089 .387 .25 .8444 .058 |
|
AlT3 .089 .387 .25 .1542 .058 |
|
FeT3 .089 .387 .25 .0006 .058 |
|
SiT4 .084 .227 .25 .8444 .058 |
|
AlT4 .084 .227 .25 .1542 .058 |
|
FeT4 .084 .227 .25 .0006 .058 |
|
O1 .119 .413 .442 .079 |
|
O2 .120 .197 .429 .079 |
|
O3 .234 .121 .993 .079 |
|
O4 .085 .306 .25 .079 |
|
O5 .158 .197 .75 .079 |
|
O6 .167 .421 .75 .079 |
|
O7 .230 .5 .5 .079 |
|
O8 .25 .25 .5 .079 |
|
O9 0 .411 .25 .079 |
|
O10 0 .194 .25 .079 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Thaumasite |
|
Martucci A, Cruciani G |
| |
Physics and Chemistry of Minerals 33 (2006) 723-731 |
|
In situ time resolved synchrotron powder diffraction study of thaumasite |
|
Sample: T = 303 K |
|
_database_code_amcsd 0009048 |
|
11.0575 11.0575 10.4163 90 90 120 P6_3 |
|
atom x y z Uiso |
|
Ca .1962 .9895 .2463 .031 |
|
Si 0 0 -.0039 .032 |
|
C 1/3 2/3 .4674 .007 |
|
S 1/3 2/3 .9836 .039 |
|
O5 .2055 .6287 .4633 .036 |
|
O6 .1926 .6244 .0414 .032 |
|
O9 1/3 2/3 .8392 .067 |
|
OH7 .1181 .1219 .0964 .040 |
|
OH8 .1429 .1288 .3879 .017 |
|
Wat1 .3916 .2287 .2397 .058 |
|
Wat2 .2605 .4008 .2535 .060 |
|
Wat3 .0034 .3330 .0591 .037 |
|
Wat4 .0226 .3584 .4118 .038 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Thaumasite |
|
Martucci A, Cruciani G |
| |
Physics and Chemistry of Minerals 33 (2006) 723-731 |
|
In situ time resolved synchrotron powder diffraction study of thaumasite |
|
Sample: T = 413 K |
|
_database_code_amcsd 0009049 |
|
11.0825 11.0825 10.4447 90 90 120 P6_3 |
|
atom x y z occ Uiso |
|
Ca .1975 .9909 .231 .019 |
|
Si 0 0 -.025 .023 |
|
C 1/3 2/3 .449 .003 |
|
S 1/3 2/3 .977 .042 |
|
O5 .2085 .6272 .456 .042 |
|
O6 .1954 .6296 .031 .024 |
|
O9 1/3 2/3 .832 .026 |
|
OH7 .1211 .1232 .080 .033 |
|
OH8 .1465 .1340 .372 .003 |
|
Wat1 .3927 .2367 .226 .98 .024 |
|
Wat2 .2555 .4080 .242 .96 .076 |
|
Wat3 -.0018 .3297 .044 .96 .002 |
|
Wat4 .0208 .3656 .390 .99 .028 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
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View JMOL 3-D Structure
|
| |
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